[2-[[2,6-bis(chloranyl)-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-[[2,6-bis(chloranyl)-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-(2,6-dichloro-3-methyl-anilino)-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-(2,6-dichloro-3-methyl-anilino)-2-keto-ethyl] ester Formula: C17H15Cl2NO5S MolecularWeight: 416.2757

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C17H15Cl2NO5S/c1-10-3-8-13(18)16(15(10)19)20-14(21)9-25-17(22)11-4-6-12(7-5-11)26(2,23)24/h3-8H,9H2,1-2H3,(H,20,21)